SCHEMBL11248792

SCHEMBL11248792

N#CC(c1ccccc1)C1OC(=O)NN=C1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 9/20 0.38
PDE3A Q14432 9/20 0.38
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
MAPT P10636 2/20 0.37
GPR119 Q8TDV5 4/20 0.37
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
NOS1 P29475 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL212810 0.71 CA2 (0.50) PDE3BPDE3AALDH1A1HPGDMAPT
SCHEMBL4649359 0.69 PDE3B (0.71) PDE3BPDE3AGPR119PDE4APDE4B
SCHEMBL11248796 0.66 PDE3B (0.42) PDE3BPDE3AALDH1A1HPGDGPR119
SCHEMBL7305470 0.60 KDM4E (0.41) ALDH1A1HPGDMAPTGPR119HTT
SCHEMBL11146386 0.60 AXL (0.44) PDE3BPDE3AALDH1A1HPGDMAPT
SCHEMBL13400655 0.58 ALDH1A1 (0.41) ALDH1A1HPGDMAPTGPR119HTT
SCHEMBL13400652 0.58 ALDH1A1 (0.41) ALDH1A1HPGDMAPTGPR119HTT
SCHEMBL7355279 0.57 CHRNB4 (0.53) CHRNB4CHRNA3
SCHEMBL2804521 0.57 ALDH1A1 (0.37) ALDH1A1HPGDMAPTHTTL3MBTL1
SCHEMBL8871280 0.56 KDM4E (0.46) PDE3BPDE3AALDH1A1HPGDMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4334030-A INJECTION MOLDABLE CONCENTRATES CONTAINING AMIDE DERIVATIVES OF AZODICARBOXYLIC ACID AND A DIHYDROOXADIAZINONE AS BLOWING AGENTS GENERAL ELECTRIC COMPANY (US) 1982-06-08 US disclosed
US-4163037-A USING A DIHYDROOXADIAZINONE BLOWING AGENT, INJECTION MOLDING GENERAL ELECTRIC COMPANY (US) 1979-07-31 US disclosed
US-4097425-A POLYCARBONATES, POLYESTERS, SUBSTITUTED 3,6-DIHYDRO-1,3,4-OXDIAZIN-2-ONE GENERAL ELECTRIC COMPANY (US) 1978-06-27 US disclosed